2-[(4-iodanyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 2-[(4-iodanyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-methyl-benzoic acid Openeye Name: 2-[(4-iodo-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-methyl-benzoic acid CAS Name: 2-[[[(4-iodo-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 2-[(4-iodo-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoic acid Traditional Name: 2-[(4-iodo-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-methyl-benzoic acid Formula: C14H13IN4O6S MolecularWeight: 492.24569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)I)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)I)OC

InChI

InChI=1S/C14H13IN4O6S/c1-7-3-4-8(12(20)21)9(5-7)26(23,24)19-14(22)18-13-16-10(15)6-11(17-13)25-2/h3-6H,1-2H3,(H,20,21)(H2,16,17,18,19,22)